3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanenitrile

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanenitrile Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanenitrile CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanenitrile IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanenitrile Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionitrile Formula: C12H10N2O2 MolecularWeight: 214.22

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC#N

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC#N

InChI

InChI=1S/C12H10N2O2/c13-6-3-7-14-11(15)8-9-4-1-2-5-10(9)12(14)16/h1-2,4-5H,3,7-8H2